Crystallography Open Database

Information card for entry 7223720

Preview

Coordinates	7223720.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	naphthalaldehydic acid cesium salt. 1H2O Cs.14.H2O
Formula	C12 H9 Cs O4
Calculated formula	C12 H9 Cs O4
Title of publication	Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts
Authors of publication	Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	948
a	7.852 ± 0.006 Å
b	29.89 ± 0.02 Å
c	4.998 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1173 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
175958 (current)	2016-02-05	cif/ Updating files of 7223717, 7223718, 7223719, 7223720, 7223721, 7223722, 7223723, 7223724 Original log message: Adding full bibliography for 7223717--7223724.cif.	7223720.cif
173490	2016-01-05	cif/ Adding structures of 7223717, 7223718, 7223719, 7223720, 7223721, 7223722, 7223723, 7223724 via cif-deposit CGI script.	7223720.cif